N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide

C11H16F2N2O3S — CID 114383933

IUPACN-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1
InChIInChI=1S/C11H16F2N2O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)15-8-11(12,13)7-14/h3-6,15H,2,7-8,14H2,1H3
InChIKeyASMMTEVTPBOXMF-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.96
Rot. Bonds7

About N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide

N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide (PubChem CID 114383933) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
PubChem CID114383933
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1
InChIInChI=1S/C11H16F2N2O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)15-8-11(12,13)7-14/h3-6,15H,2,7-8,14H2,1H3
InChIKeyASMMTEVTPBOXMF-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
CID 97307640
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712963
N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
CID 114384146
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120713011
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide (CID 114383933) is N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide?
The InChIKey is ASMMTEVTPBOXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)15-8-11(12,13)7-14/h3-6,15H,2,7-8,14H2,1H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide?
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 114383933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).